PhytoHub: Showing entry for 8-hydroxyperillic acid-9-glucuronide

8-hydroxyperillic acid-9-glucuronide

Identification

PhytoHub ID

PHUB002611

Name

8-hydroxyperillic acid-9-glucuronide

Systematic Name

8-hydroxy-p-menth-1-en-7-oic acid-9-glucuronide

Synonyms

8-hydroxy-p-menth-1-en-7-oic acid-9-glucuronide

CAS Number

Not Available

Average Mass

376.358

Monoisotopic Mass

376.136946973

Chemical Formula

C₁₆H₂₄O₁₀

IUPAC Name

5-[2-(4-carboxycyclohex-3-en-1-yl)-2-hydroxypropoxy]-3,4,6-trihydroxyoxane-2-carboxylic acid

InChI Key

YZZZVFBCHFYOKY-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C16H26O10/c1-16(6-17,8-4-2-7(3-5-8)13(20)21)26-12-10(19)9(18)11(14(22)23)25-15(12)24/h7-12,15,17-19,24H,2-6H2,1H3,(H,20,21)(H,22,23)

SMILES

CC(O)(COC1C(O)OC(C(O)C1O)C(O)=O)C1CCC(=CC1)C(O)=O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.41e+01 g/l
LogS (ALOGPS): -1.43
LogP (ALOGPS): -0.72
Hydrogen Acceptors: 10
Hydrogen Donors: 6
Rotatable Bond Count: 6
Polar Surface Area: 173.98
Refractivity: 84.0035
Polarizability: 36.71758682317463
Formal Charge: Not Available
Physiological Charge: Not Available
pKa (strongest basic): -3.2297596906476698
pKa (strongest acidic): 3.28389065388416
Number of Rings: Not Available
Rule of Five: No
Bioavailability: No
Ghose Filter: No
Veber's Rule: No
MDDR-like Rule: No

External Links

No external links

Taxonomy as Metabolite

Family: Terpenoid metabolites
Class: Monoterpenoid metabolites
Sub-class: Not Available

Taxonomy of its Food Phytochemical Precursor(s)

Food Phytochemical	Family	Class	Sub-class
Limonene	Terpenoids	Monoterpenoids	Not Available	Show Food Phytochemical

Spectra from Phytohub

	Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Food Phytochemical	Food Source	Food Source Group
Limonene	Apple	Fruit, Pomes	Publications	Show
Limonene	Dill	Herbs and Spices		Show
Limonene	Ginseng	Herbs and Spices	Publications	Show
Limonene	Grape	Fruit, Berries	Publications	Show
Limonene	Grape wine	Beverages, Alcoholic	Publications	Show
Limonene	Lemon	Fruit, Citrus	Publications	Show
Limonene	Mandarin orange (Clementine, Tangerine)	Fruit, Citrus	Publications	Show
Limonene	Mint	Herbs and Spices	Publications	Show
Limonene	Nutmeg	Herbs and Spices		Show
Limonene	Orange juice	Beverages, Non-alcoholic	Publications	Show
Limonene	Pepper	Herbs and Spices		Show
Limonene	Peppermint	Herbs and Spices	Publications	Show
Limonene	Star anise	Herbs and Spices	Publications	Show
Limonene	Sweet orange	Fruit, Citrus	Publications	Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

	Food Phytochemical		Metabolite	Species	Biofluids	Origin	TMax	CMax	Urinary Excretion	Formula	Monoisotopic mass
	Limonene		8-hydroxyperillic acid-9-glucuronide	mouse rat	Not Available	unknown	Not Available	Not Available	Not Available	C₁₆H₂₄O₁₀	376.136946973		Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for 8-hydroxyperillic acid-9-glucuronide